SCHEMBL8307594

SCHEMBL8307594

O=C(OC1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 4/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HGFAC Q04756 1/20 0.38
PGR P06401 1/20 0.38
PKM P14618 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8311914 0.81 KMT2A (0.39) SLC6A2SLC6A4SLC6A3POLBTDP1
SCHEMBL8311548 0.80 DRD2 (0.46) POLBALDH1A1
SCHEMBL6359097 0.77 TAS1R3 (0.40) HSD17B10SLC6A2SLC6A4SLC6A3POLB
SCHEMBL6363447 0.75 KMT2A (0.43) HSD17B10SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL28752620 0.74 POLB (0.41) POLBTDP1NPSR1HTTMAPT
SCHEMBL8308233 0.72 CHRM4 (0.47) POLBNPSR1KDM4EHTTMAPT
SCHEMBL8312961 0.72 HSP90AA1 (0.46) POLBNPSR1KDM4EMAPTMEN1
SCHEMBL7531672 0.71 HSD17B10 (0.56) HSD17B10POLBPTPN2PTPN1TDP1
SCHEMBL10469676 0.69 HSP90AA1 (0.44) KDM4EMEN1KMT2AALDH1A1
SCHEMBL8744123 0.69 HSD17B10 (0.57) HSD17B10POLBTDP1NPSR1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087124-A1 COMPOUNDS HAVING SEROTONIN 5-HT17 RECEPTOR ANTAGONIST ACTIVITY AND MUSCARINIC M4 RECEPTOR AGONIST ACTIVITY AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MITSUBISHI PHARMA CORPORATION (JP) 2004-10-14 WO disclosed